SCHEMBL31591419

SCHEMBL31591419

Cc1nc2ccccc2nc1-c1nc2n[nH]cc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 5/20 0.41
▸ TNKS O95271 5/20 0.41
▸ PARP1 P09874 4/20 0.41
▸ GUSB P08236 6/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8278866 0.70 PARP1 (0.46) TNKS2PARP1NPC1RAB9APOLB
SCHEMBL31591432 0.69 NPC1 (0.50) TNKS2TNKSPARP1GUSBNPC1
SCHEMBL7965710 0.68 PDE5A (0.69) GUSBMEN1KMT2AMAPTALDH1A1
SCHEMBL29589542 0.67 CYP1A2 (0.41) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL27091284 0.67 CYP1A2 (0.41) NPC1RAB9AL3MBTL1MAPTALDH1A1
Oxypurinol SCHEMBL8258215 0.67 PARP1 (0.38) TNKS2TNKSPARP1GUSBALDH1A1
SCHEMBL6695759 0.61 TNKS2 (0.81) TNKS2TNKSPARP1GUSBNPC1
SCHEMBL11011451 0.61 MAPT (0.59) L3MBTL1MAPTALDH1A1HPGDHSD17B10
SCHEMBL8621956 0.60 PARP1 (0.96) TNKS2TNKSPARP1NPC1RAB9A
SCHEMBL30616953 0.60 AKT2 (0.48) L3MBTL1MAPTALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559520-A1 NOVEL AQP4 INHIBITORS Origenis GmbH (DE) 2025-05-28 — — EP claimed
EP-4559520-A1 NOVEL AQP4 INHIBITORS Origenis GmbH (DE) 2025-05-28 — — EP disclosed
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